Compound Detail
CHEMBL3394252
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Basic Information
| ChEMBL ID | CHEMBL3394252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRPIBIZXJYYOPY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
1.21
ALogP
5
HBA
1
HBD
100.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidylate kinase CHEMBL2361 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidylate kinase | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate... | 25486447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25486447 | 10.1021/jm5012947 | Mycobacterium tuberculosis | 1 |
| 25486447 | 10.1021/jm5012947 | Thymidylate kinase | 1 |
Data from ChEMBL 36 via Core Engine